SCHEMBL4773995

SCHEMBL4773995

CCCCN(C(=O)O)c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HDAC6 Q9UBN7 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
ELANE P08246 2/20 0.37
ADRB2 P07550 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4767667 0.91 KMT2A (0.42) TSHRL3MBTL1ALDH1A1TP53NPC1
SCHEMBL11791894 0.89 TSHR (0.44) TSHRL3MBTL1ALDH1A1TP53NPC1
SCHEMBL4773221 0.84 TSHR (0.44) TSHRL3MBTL1ALDH1A1TP53NPC1
SCHEMBL11851073 0.80 ALDH1A1 (0.46) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL8746679 0.78 TSHR (0.42) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL27949368 0.77 ALDH1A1 (0.43) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28015754 0.77 TP53 (0.39) TSHRALDH1A1TP53NPC1JAK2
SCHEMBL5510917 0.77 LTB4R2 (0.47) TSHRALDH1A1TP53NPC1JAK2
SCHEMBL28986108 0.76 ALDH1A1 (0.46) TSHRALDH1A1TP53NPC1JAK2
SCHEMBL11162092 0.75 KDM4E (0.42) TSHRL3MBTL1ALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP TSHR 3572/4885L3MBTL1 2626/4885ALDH1A1 1205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.